PDB entry 4h49



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 47.440 Åb: 106.490 Åc: 65.880 Å
α: 90.00°β: 94.96°γ: 90.00°
Resolution2.16 Å

Experimental data
ReflectionsAll: 34817Test set: 1741 (5.0%)
Resolution range47.26 Å2.16 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.16700.17460.17330.1754
R-free0.24100.24250.20700.2123
σR-free 0.00410.00350.0036
R-free Z-score -3.155.975.08

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.401-1.365-1.373
2nd generation packing quality1-1.923-1.734-1.597
Ramachandran plot appearance1-0.1790.4960.515
Chi-1/Chi-2 rotamer normality1-0.806-0.158-0.023
Backbone conformation10.3180.4470.456
Bond length RMS Z-score20.3660.4070.423
Bond angle RMS Z-score20.6260.7140.737
Total number of bumps3472829
Unsatisfied H-bond donors/acceptors3636153
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues27
Significantly deteriorated residues24122
Changes of all residuesPlot Plot

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